SCHEMBL15899461

SCHEMBL15899461

COC(C)(COC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
HIF1A Q16665 2/20 0.43
KCNN4 O15554 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15899448 0.83 CYP2D6 (0.41) HIF1AKCNN4CYP2C19KMT2AMAPT
SCHEMBL8034194 0.81 HIF1A (0.59) CES1HIF1AKCNN4CYP2C19KMT2A
SCHEMBL487150 0.79 MAPK1 (0.43) CES1HIF1AKCNN4CYP2C19ALDH1A1
SCHEMBL25338006 0.76 CYP2C19 (0.45) HIF1ACYP2C19KMT2AMAPTCHRM2
SCHEMBL6529360 0.75 KMT2A (0.48) CES1HIF1AKCNN4CYP2C19KMT2A
SCHEMBL5832056 0.75 ALDH1A1 (0.45) CES1HIF1AKCNN4CYP2C19KMT2A
SCHEMBL8040554 0.75 HIF1A (0.44) CES1HIF1AKCNN4CYP2C19KMT2A
SCHEMBL5846764 0.75 HIF1A (0.44) CES1HIF1AKCNN4CYP2C19KMT2A
SCHEMBL31187336 0.74 SMN1; SMN2 (0.41) KMT2AALDH1A1ALOX15MAPK1CYP2D6
SCHEMBL487220 0.74 ALDH1A1 (0.46) CES1HIF1AKCNN4CYP2C19KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759552-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFIN, CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO LTD (JP) 2016-02-10 EP disclosed
US-9243081-B2 Solid catalyst component for polymerization of olefin, catalyst for polymerization of olefin, and method for producing olefin polymer TOHO TITANIUM CO., LTD. (JP) 2016-01-26 US disclosed
US-20140343237-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFIN, CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO., LTD. (JP) 2014-11-20 US disclosed
EP-2759552-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFIN, CATALYST FOR POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER Toho Titanium CO., LTD. (JP) 2014-07-30 EP disclosed